6JTJ
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-acetylglucosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-01-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 102.184, 125.307, 190.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 104.710 - 2.180 |
| R-factor | 0.21593 |
| Rwork | 0.214 |
| R-free | 0.24395 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jti |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.367 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.710 | 2.220 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.116 | 0.670 |
| Number of reflections | 127747 | 6244 |
| <I/σ(I)> | 14.7 | 2.9 |
| Completeness [%] | 99.9 | 98.3 |
| Redundancy | 6.7 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.2 M Sodium acetate trihydrate, 20% w/v polyethylene glycol 3,350 pH8.0 |
